7-chloranyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-isopentyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-isoamyl-quinazolin-4-one Formula: C24H26ClN3O2S MolecularWeight: 456.00014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H26ClN3O2S/c1-16(2)9-12-28-23(30)20-8-7-19(25)13-21(20)26-24(28)31-15-22(29)27-11-10-17-5-3-4-6-18(17)14-27/h3-8,13,16H,9-12,14-15H2,1-2H3